Geometry & MOs

Info

ID:

329365

PubChem CID:

126735511

Reduced:

NSO16C55H73 (1)

Stoich.:

ABC16D55E73 (1)

Weight, g/mol:

1249.444214

ΔHf, kcal/mol:

-679.66

Dipole, Da:

9.81

IP(EA), eV:

 -8.83(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[11-[6-ethyl-2-(2-hydroxy-5-methylsulfanyloxyphenyl)-1,3-dioxan-4-yl]-6,8-dihydroxy-1-[6-[4-hydroxy-5-[(6S)-2-(2-hydroxy-5-methylsulfanyloxyphenyl)-6-methyl-1,3-dioxan-4-yl]pentyl]-2-(2-hydroxy-5-methylsulfanyloxyphenyl)-1,3-dioxan-4-yl]undecan-4-yl] N-(4-methylphenyl)sulfonylcarbamate

Drug info:

PubChemData

Smile

CC1CC(OC(O1)C2=CC(=CC=C2)O)CCCC3CC(OC(O3)COC4=CC=C(C=C4)S(=O)(=O)N)CC(CCCC5CC(OC(O5)C6=CC(=CC=C6)O)CCCC(CC7CCOC(O7)C8=CC(=CC=C8)O)O)O

DOS

IR

Vibrations